[2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol

C13H18ClNO2 — CID 103339584

IUPAC[2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol
SMILESC=CCN(CCOC)c1cccc(Cl)c1CO
InChIInChI=1S/C13H18ClNO2/c1-3-7-15(8-9-17-2)13-6-4-5-12(14)11(13)10-16/h3-6,16H,1,7-10H2,2H3
InChIKeyHNWXLEDOLNICQA-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.47
Rot. Bonds7

About [2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol

[2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol (PubChem CID 103339584) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is [2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol
PubChem CID103339584
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name[2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol
SMILESC=CCN(CCOC)c1cccc(Cl)c1CO
InChIInChI=1S/C13H18ClNO2/c1-3-7-15(8-9-17-2)13-6-4-5-12(14)11(13)10-16/h3-6,16H,1,7-10H2,2H3
InChIKeyHNWXLEDOLNICQA-UHFFFAOYSA-N
XLogP2.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol?
The IUPAC name of [2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol (CID 103339584) is [2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol is C=CCN(CCOC)c1cccc(Cl)c1CO.
What is the InChIKey of [2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol?
The InChIKey is HNWXLEDOLNICQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-7-15(8-9-17-2)13-6-4-5-12(14)11(13)10-16/h3-6,16H,1,7-10H2,2H3.
What are the key properties of [2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol?
[2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol has a molecular weight of 255.74 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]methanol is sourced from PubChem (CID 103339584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).